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Home Nitriles 2-[4-(aminomethyl)piperidin-1-yl]benzonitrile hydrochloride

2-[4-(aminomethyl)piperidin-1-yl]benzonitrile hydrochloride

CAS No.:
1296224-75-3
Catalog Number:
AG01AKRO
Molecular Formula:
C13H18ClN3
Molecular Weight:
251.7551
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Product Description
Catalog Number:
AG01AKRO
Chemical Name:
2-[4-(aminomethyl)piperidin-1-yl]benzonitrile hydrochloride
CAS Number:
1296224-75-3
Molecular Formula:
C13H18ClN3
Molecular Weight:
251.7551
MDL Number:
MFCD16619456
IUPAC Name:
2-[4-(aminomethyl)piperidin-1-yl]benzonitrile;hydrochloride
InChI:
InChI=1S/C13H17N3.ClH/c14-9-11-5-7-16(8-6-11)13-4-2-1-3-12(13)10-15;/h1-4,11H,5-9,14H2;1H
InChI Key:
PIDMIFHQJMITKT-UHFFFAOYSA-N
SMILES:
NCC1CCN(CC1)c1ccccc1C#N.Cl
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.119g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.758g/mol
Monoisotopic Mass:
251.119g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties